N-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide

C25H26N4O5S — CID 36860042

IUPACN-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide
SMILESO=C(CNc1ccccc1NC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H26N4O5S/c30-24(27-20-10-12-21(13-11-20)35(32,33)29-14-16-34-17-15-29)18-26-22-8-4-5-9-23(22)28-25(31)19-6-2-1-3-7-19/h1-13,26H,14-18H2,(H,27,30)(H,28,31)
InChIKeyVMFLKNCIRMLYFZ-UHFFFAOYSA-N
MW494.57 g/mol
LogP3.01
Rot. Bonds8

About N-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide

N-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide (PubChem CID 36860042) has the molecular formula C25H26N4O5S and a molecular weight of 494.57 g/mol. Its IUPAC name is N-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide
PubChem CID36860042
Molecular FormulaC25H26N4O5S
Molecular Weight494.57 g/mol
Exact Mass494.16
IUPAC NameN-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide
SMILESO=C(CNc1ccccc1NC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H26N4O5S/c30-24(27-20-10-12-21(13-11-20)35(32,33)29-14-16-34-17-15-29)18-26-22-8-4-5-9-23(22)28-25(31)19-6-2-1-3-7-19/h1-13,26H,14-18H2,(H,27,30)(H,28,31)
InChIKeyVMFLKNCIRMLYFZ-UHFFFAOYSA-N
XLogP3.01
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247
2-(2-benzylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 42070359
2-[3-(benzenesulfonyl)-2-methylanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 22307501
2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 25483949
N-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 55613517
methyl 3-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate
CID 30766141
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
3-methyl-4-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 55989215
2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 26417047
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 25332078
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide?
The IUPAC name of N-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide (CID 36860042) is N-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide?
The canonical SMILES for N-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide is O=C(CNc1ccccc1NC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide?
The InChIKey is VMFLKNCIRMLYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5S/c30-24(27-20-10-12-21(13-11-20)35(32,33)29-14-16-34-17-15-29)18-26-22-8-4-5-9-23(22)28-25(31)19-6-2-1-3-7-19/h1-13,26H,14-18H2,(H,27,30)(H,28,31).
What are the key properties of N-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide?
N-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide has a molecular weight of 494.57 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide is sourced from PubChem (CID 36860042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).